Monomers

1-Ethenoxy-2-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-2-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3
InchI Key
TWWWGBSUPNNTMJ-UHFFFAOYSA-N
SMILES
C=COc1ccccc1C
Canonical SMILES
CC1=CC=CC=C1OC=C
Isomeric SMILES
CC1=CC=CC=C1OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.5900   -0.0311   -0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347   -0.4610    0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3258    0.3444    0.1353 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0173   -0.1353    0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2599   -1.4926    0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5662   -1.9387    0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -0.9901   -0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2800    0.3613   -0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9778    0.8150   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6607    2.2755   -0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6648    0.9408   -0.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4619   -0.6496   -0.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3899   -1.4603    0.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5521   -2.2226    0.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8007   -2.9993    0.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5826   -1.3504   -0.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0721    1.1157   -0.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9566    2.6517   -1.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1621    2.8512    0.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4447    2.3754   -0.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers